USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 677 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot 180:sc= 0 USER MOD Single : A 703 SER OG : rot -30:sc= 0.937 USER MOD Single : A 706 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.9!) USER MOD Single : A 710 GLN : amide:sc= -0.725 K(o=-0.72,f=-3.3!) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 -0.047 -9.256 -14.460 1.00 0.00 N ATOM 2 CA ASN A 677 0.183 -7.788 -14.361 1.00 0.00 C ATOM 3 C ASN A 677 1.509 -7.528 -13.655 1.00 0.00 C ATOM 4 O ASN A 677 2.086 -8.430 -13.048 1.00 0.00 O ATOM 5 CB ASN A 677 -0.962 -7.147 -13.574 1.00 0.00 C ATOM 6 CG ASN A 677 -2.292 -7.432 -14.264 1.00 0.00 C ATOM 7 OD1 ASN A 677 -2.401 -7.292 -15.483 1.00 0.00 O ATOM 8 ND2 ASN A 677 -3.313 -7.827 -13.557 1.00 0.00 N ATOM 0 HA ASN A 677 0.219 -7.353 -15.360 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -0.979 -7.539 -12.557 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -0.805 -6.071 -13.499 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -4.205 -8.021 -14.013 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -3.220 -7.942 -12.548 1.00 0.00 H new ATOM 17 N TRP A 678 2.003 -6.300 -13.767 1.00 0.00 N ATOM 18 CA TRP A 678 3.281 -5.945 -13.165 1.00 0.00 C ATOM 19 C TRP A 678 3.291 -6.297 -11.681 1.00 0.00 C ATOM 20 O TRP A 678 4.343 -6.586 -11.108 1.00 0.00 O ATOM 21 CB TRP A 678 3.540 -4.447 -13.337 1.00 0.00 C ATOM 22 CG TRP A 678 3.808 -4.148 -14.777 1.00 0.00 C ATOM 23 CD1 TRP A 678 2.880 -3.729 -15.668 1.00 0.00 C ATOM 24 CD2 TRP A 678 5.066 -4.239 -15.506 1.00 0.00 C ATOM 25 NE1 TRP A 678 3.489 -3.555 -16.898 1.00 0.00 N ATOM 26 CE2 TRP A 678 4.836 -3.857 -16.849 1.00 0.00 C ATOM 27 CE3 TRP A 678 6.370 -4.611 -15.137 1.00 0.00 C ATOM 28 CZ2 TRP A 678 5.864 -3.845 -17.791 1.00 0.00 C ATOM 29 CZ3 TRP A 678 7.408 -4.602 -16.083 1.00 0.00 C ATOM 30 CH2 TRP A 678 7.154 -4.217 -17.408 1.00 0.00 C ATOM 0 H TRP A 678 1.541 -5.539 -14.265 1.00 0.00 H new ATOM 0 HA TRP A 678 4.067 -6.510 -13.666 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.678 -3.876 -12.991 1.00 0.00 H new ATOM 0 HB3 TRP A 678 4.390 -4.142 -12.727 1.00 0.00 H new ATOM 0 HD1 TRP A 678 1.835 -3.558 -15.454 1.00 0.00 H new ATOM 0 HE1 TRP A 678 3.003 -3.242 -17.738 1.00 0.00 H new ATOM 0 HE3 TRP A 678 6.575 -4.906 -14.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 5.664 -3.550 -18.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 8.406 -4.893 -15.789 1.00 0.00 H new ATOM 0 HH2 TRP A 678 7.956 -4.208 -18.131 1.00 0.00 H new ATOM 41 N LEU A 679 2.115 -6.272 -11.064 1.00 0.00 N ATOM 42 CA LEU A 679 2.001 -6.591 -9.645 1.00 0.00 C ATOM 43 C LEU A 679 2.136 -8.092 -9.420 1.00 0.00 C ATOM 44 O LEU A 679 2.811 -8.532 -8.490 1.00 0.00 O ATOM 45 CB LEU A 679 0.649 -6.113 -9.109 1.00 0.00 C ATOM 46 CG LEU A 679 0.597 -4.583 -9.116 1.00 0.00 C ATOM 47 CD1 LEU A 679 -0.828 -4.123 -8.802 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.555 -4.029 -8.054 1.00 0.00 C ATOM 0 H LEU A 679 1.233 -6.036 -11.519 1.00 0.00 H new ATOM 0 HA LEU A 679 2.804 -6.082 -9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.158 -6.516 -9.721 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.497 -6.486 -8.096 1.00 0.00 H new ATOM 0 HG LEU A 679 0.894 -4.215 -10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 679 -0.868 -3.034 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 679 -1.511 -4.514 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 679 -1.122 -4.493 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.516 -2.940 -8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 679 1.260 -4.396 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 679 2.571 -4.357 -8.274 1.00 0.00 H new ATOM 60 N TRP A 680 1.491 -8.875 -10.279 1.00 0.00 N ATOM 61 CA TRP A 680 1.545 -10.327 -10.165 1.00 0.00 C ATOM 62 C TRP A 680 2.992 -10.807 -10.148 1.00 0.00 C ATOM 63 O TRP A 680 3.388 -11.591 -9.283 1.00 0.00 O ATOM 64 CB TRP A 680 0.809 -10.972 -11.342 1.00 0.00 C ATOM 65 CG TRP A 680 1.035 -12.451 -11.327 1.00 0.00 C ATOM 66 CD1 TRP A 680 1.865 -13.115 -12.165 1.00 0.00 C ATOM 67 CD2 TRP A 680 0.442 -13.458 -10.456 1.00 0.00 C ATOM 68 NE1 TRP A 680 1.821 -14.463 -11.861 1.00 0.00 N ATOM 69 CE2 TRP A 680 0.957 -14.725 -10.817 1.00 0.00 C ATOM 70 CE3 TRP A 680 -0.484 -13.397 -9.400 1.00 0.00 C ATOM 71 CZ2 TRP A 680 0.570 -15.890 -10.152 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -0.878 -14.566 -8.729 1.00 0.00 C ATOM 73 CH2 TRP A 680 -0.350 -15.810 -9.104 1.00 0.00 C ATOM 0 H TRP A 680 0.928 -8.531 -11.057 1.00 0.00 H new ATOM 0 HA TRP A 680 1.063 -10.617 -9.231 1.00 0.00 H new ATOM 0 HB2 TRP A 680 -0.258 -10.756 -11.279 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.165 -10.549 -12.282 1.00 0.00 H new ATOM 0 HD1 TRP A 680 2.464 -12.665 -12.944 1.00 0.00 H new ATOM 0 HE1 TRP A 680 2.361 -15.177 -12.349 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -0.896 -12.444 -9.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 0.979 -16.846 -10.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -1.591 -14.507 -7.920 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -0.655 -16.706 -8.583 1.00 0.00 H new ATOM 84 N TYR A 681 3.780 -10.333 -11.108 1.00 0.00 N ATOM 85 CA TYR A 681 5.184 -10.722 -11.194 1.00 0.00 C ATOM 86 C TYR A 681 5.972 -10.152 -10.018 1.00 0.00 C ATOM 87 O TYR A 681 6.912 -10.778 -9.527 1.00 0.00 O ATOM 88 CB TYR A 681 5.787 -10.220 -12.508 1.00 0.00 C ATOM 89 CG TYR A 681 5.218 -11.014 -13.657 1.00 0.00 C ATOM 90 CD1 TYR A 681 5.838 -12.201 -14.065 1.00 0.00 C ATOM 91 CD2 TYR A 681 4.067 -10.565 -14.318 1.00 0.00 C ATOM 92 CE1 TYR A 681 5.311 -12.938 -15.132 1.00 0.00 C ATOM 93 CE2 TYR A 681 3.540 -11.302 -15.385 1.00 0.00 C ATOM 94 CZ TYR A 681 4.162 -12.488 -15.791 1.00 0.00 C ATOM 95 OH TYR A 681 3.642 -13.215 -16.843 1.00 0.00 O ATOM 0 H TYR A 681 3.474 -9.684 -11.833 1.00 0.00 H new ATOM 0 HA TYR A 681 5.242 -11.810 -11.161 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.568 -9.161 -12.640 1.00 0.00 H new ATOM 0 HB3 TYR A 681 6.872 -10.320 -12.485 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.725 -12.549 -13.556 1.00 0.00 H new ATOM 0 HD2 TYR A 681 3.586 -9.650 -14.004 1.00 0.00 H new ATOM 0 HE1 TYR A 681 5.791 -13.853 -15.446 1.00 0.00 H new ATOM 0 HE2 TYR A 681 2.653 -10.955 -15.895 1.00 0.00 H new ATOM 0 HH TYR A 681 2.843 -12.765 -17.188 1.00 0.00 H new ATOM 105 N ILE A 682 5.582 -8.963 -9.570 1.00 0.00 N ATOM 106 CA ILE A 682 6.261 -8.322 -8.450 1.00 0.00 C ATOM 107 C ILE A 682 6.115 -9.160 -7.185 1.00 0.00 C ATOM 108 O ILE A 682 7.070 -9.336 -6.430 1.00 0.00 O ATOM 109 CB ILE A 682 5.716 -6.911 -8.214 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.344 -5.945 -9.231 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.053 -6.458 -6.788 1.00 0.00 C ATOM 112 CD1 ILE A 682 7.754 -5.548 -8.780 1.00 0.00 C ATOM 0 H ILE A 682 4.807 -8.428 -9.961 1.00 0.00 H new ATOM 0 HA ILE A 682 7.319 -8.244 -8.699 1.00 0.00 H new ATOM 0 HB ILE A 682 4.633 -6.913 -8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 682 6.387 -6.416 -10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 682 5.722 -5.056 -9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 682 5.664 -5.453 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 682 5.601 -7.144 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.135 -6.454 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 682 8.190 -4.863 -9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 682 7.701 -5.058 -7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 682 8.376 -6.440 -8.703 1.00 0.00 H new ATOM 124 N ARG A 683 4.910 -9.676 -6.962 1.00 0.00 N ATOM 125 CA ARG A 683 4.650 -10.496 -5.783 1.00 0.00 C ATOM 126 C ARG A 683 5.489 -11.770 -5.821 1.00 0.00 C ATOM 127 O ARG A 683 6.085 -12.161 -4.817 1.00 0.00 O ATOM 128 CB ARG A 683 3.161 -10.839 -5.689 1.00 0.00 C ATOM 129 CG ARG A 683 2.388 -9.582 -5.280 1.00 0.00 C ATOM 130 CD ARG A 683 0.892 -9.892 -5.195 1.00 0.00 C ATOM 131 NE ARG A 683 0.335 -10.097 -6.529 1.00 0.00 N ATOM 132 CZ ARG A 683 -0.948 -10.416 -6.709 1.00 0.00 C ATOM 133 NH1 ARG A 683 -1.751 -10.570 -5.685 1.00 0.00 N ATOM 134 NH2 ARG A 683 -1.410 -10.570 -7.918 1.00 0.00 N ATOM 0 H ARG A 683 4.106 -9.543 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 683 4.931 -9.925 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.798 -11.210 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 683 3.002 -11.633 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 683 2.748 -9.221 -4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 683 2.562 -8.786 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 683 0.733 -10.783 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 683 0.372 -9.072 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 683 0.941 -9.994 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -1.397 -10.446 -4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -2.730 -10.814 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -0.792 -10.447 -8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -2.390 -10.814 -8.062 1.00 0.00 H new ATOM 148 N ILE A 684 5.532 -12.412 -6.983 1.00 0.00 N ATOM 149 CA ILE A 684 6.303 -13.640 -7.138 1.00 0.00 C ATOM 150 C ILE A 684 7.766 -13.402 -6.774 1.00 0.00 C ATOM 151 O ILE A 684 8.362 -14.175 -6.023 1.00 0.00 O ATOM 152 CB ILE A 684 6.215 -14.133 -8.588 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.787 -14.609 -8.907 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.199 -15.287 -8.793 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.479 -15.939 -8.201 1.00 0.00 C ATOM 0 H ILE A 684 5.046 -12.106 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 684 5.888 -14.394 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 684 6.467 -13.311 -9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 684 4.069 -13.852 -8.593 1.00 0.00 H new ATOM 0 HG13 ILE A 684 4.672 -14.730 -9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 684 7.138 -15.639 -9.823 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.212 -14.942 -8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.949 -16.103 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.464 -16.253 -8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 684 5.184 -16.700 -8.536 1.00 0.00 H new ATOM 0 HD13 ILE A 684 4.571 -15.808 -7.123 1.00 0.00 H new ATOM 167 N PHE A 685 8.338 -12.332 -7.315 1.00 0.00 N ATOM 168 CA PHE A 685 9.735 -12.005 -7.039 1.00 0.00 C ATOM 169 C PHE A 685 9.951 -11.812 -5.542 1.00 0.00 C ATOM 170 O PHE A 685 10.943 -12.277 -4.983 1.00 0.00 O ATOM 171 CB PHE A 685 10.129 -10.729 -7.784 1.00 0.00 C ATOM 172 CG PHE A 685 11.568 -10.391 -7.478 1.00 0.00 C ATOM 173 CD1 PHE A 685 12.601 -11.072 -8.132 1.00 0.00 C ATOM 174 CD2 PHE A 685 11.869 -9.397 -6.539 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.936 -10.757 -7.848 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.204 -9.083 -6.254 1.00 0.00 C ATOM 177 CZ PHE A 685 14.237 -9.764 -6.909 1.00 0.00 C ATOM 0 H PHE A 685 7.863 -11.681 -7.941 1.00 0.00 H new ATOM 0 HA PHE A 685 10.359 -12.831 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.997 -10.866 -8.857 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.480 -9.906 -7.486 1.00 0.00 H new ATOM 0 HD1 PHE A 685 12.369 -11.840 -8.855 1.00 0.00 H new ATOM 0 HD2 PHE A 685 11.071 -8.872 -6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 685 14.733 -11.281 -8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 685 13.436 -8.316 -5.530 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.267 -9.523 -6.690 1.00 0.00 H new ATOM 187 N ILE A 686 9.014 -11.122 -4.899 1.00 0.00 N ATOM 188 CA ILE A 686 9.114 -10.875 -3.465 1.00 0.00 C ATOM 189 C ILE A 686 9.128 -12.193 -2.696 1.00 0.00 C ATOM 190 O ILE A 686 9.960 -12.398 -1.812 1.00 0.00 O ATOM 191 CB ILE A 686 7.937 -10.016 -2.994 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.083 -8.601 -3.556 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.928 -9.957 -1.465 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.782 -7.827 -3.339 1.00 0.00 C ATOM 0 H ILE A 686 8.185 -10.727 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 686 10.046 -10.344 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 686 7.003 -10.454 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.910 -8.087 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.320 -8.644 -4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.090 -9.346 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.826 -10.965 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.861 -9.518 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 686 6.887 -6.819 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 686 5.966 -8.337 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.565 -7.772 -2.272 1.00 0.00 H new ATOM 206 N ILE A 687 8.199 -13.080 -3.038 1.00 0.00 N ATOM 207 CA ILE A 687 8.112 -14.376 -2.375 1.00 0.00 C ATOM 208 C ILE A 687 9.406 -15.162 -2.561 1.00 0.00 C ATOM 209 O ILE A 687 9.916 -15.771 -1.621 1.00 0.00 O ATOM 210 CB ILE A 687 6.940 -15.175 -2.944 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.623 -14.514 -2.529 1.00 0.00 C ATOM 212 CG2 ILE A 687 6.985 -16.605 -2.400 1.00 0.00 C ATOM 213 CD1 ILE A 687 4.468 -15.139 -3.314 1.00 0.00 C ATOM 0 H ILE A 687 7.500 -12.927 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 687 7.954 -14.208 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 687 7.010 -15.197 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.461 -14.643 -1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 687 5.667 -13.441 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.149 -17.175 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 687 7.923 -17.077 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.915 -16.583 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 687 3.530 -14.668 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 687 4.629 -14.987 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 687 4.420 -16.207 -3.102 1.00 0.00 H new ATOM 225 N ILE A 688 9.932 -15.143 -3.782 1.00 0.00 N ATOM 226 CA ILE A 688 11.166 -15.857 -4.084 1.00 0.00 C ATOM 227 C ILE A 688 12.305 -15.362 -3.197 1.00 0.00 C ATOM 228 O ILE A 688 13.061 -16.156 -2.639 1.00 0.00 O ATOM 229 CB ILE A 688 11.538 -15.662 -5.555 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.529 -16.403 -6.437 1.00 0.00 C ATOM 231 CG2 ILE A 688 12.939 -16.221 -5.804 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.723 -15.982 -7.895 1.00 0.00 C ATOM 0 H ILE A 688 9.525 -14.644 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 688 11.005 -16.917 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 688 11.522 -14.599 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 688 10.664 -17.480 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 688 9.513 -16.178 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.205 -16.083 -6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.657 -15.696 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 688 12.955 -17.284 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 688 10.006 -16.509 -8.524 1.00 0.00 H new ATOM 0 HD12 ILE A 688 10.566 -14.907 -7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 688 11.736 -16.230 -8.214 1.00 0.00 H new ATOM 244 N VAL A 689 12.420 -14.042 -3.074 1.00 0.00 N ATOM 245 CA VAL A 689 13.470 -13.451 -2.252 1.00 0.00 C ATOM 246 C VAL A 689 13.305 -13.864 -0.793 1.00 0.00 C ATOM 247 O VAL A 689 14.280 -14.210 -0.123 1.00 0.00 O ATOM 248 CB VAL A 689 13.422 -11.926 -2.363 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.370 -11.311 -1.332 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.855 -11.503 -3.769 1.00 0.00 C ATOM 0 H VAL A 689 11.805 -13.367 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 689 14.434 -13.811 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 689 12.406 -11.579 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.337 -10.224 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.063 -11.612 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.386 -11.657 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.821 -10.416 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.872 -11.849 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.181 -11.942 -4.505 1.00 0.00 H new ATOM 260 N GLY A 690 12.072 -13.824 -0.306 1.00 0.00 N ATOM 261 CA GLY A 690 11.794 -14.197 1.076 1.00 0.00 C ATOM 262 C GLY A 690 12.166 -15.656 1.325 1.00 0.00 C ATOM 263 O GLY A 690 12.725 -15.996 2.367 1.00 0.00 O ATOM 0 H GLY A 690 11.253 -13.539 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.356 -13.553 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.737 -14.043 1.294 1.00 0.00 H new ATOM 267 N SER A 691 11.850 -16.514 0.358 1.00 0.00 N ATOM 268 CA SER A 691 12.156 -17.934 0.482 1.00 0.00 C ATOM 269 C SER A 691 13.661 -18.146 0.623 1.00 0.00 C ATOM 270 O SER A 691 14.112 -18.921 1.466 1.00 0.00 O ATOM 271 CB SER A 691 11.645 -18.688 -0.745 1.00 0.00 C ATOM 272 OG SER A 691 11.957 -20.068 -0.612 1.00 0.00 O ATOM 0 H SER A 691 11.386 -16.253 -0.512 1.00 0.00 H new ATOM 0 HA SER A 691 11.661 -18.317 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.568 -18.555 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 691 12.101 -18.286 -1.649 1.00 0.00 H new ATOM 0 HG SER A 691 11.629 -20.555 -1.397 1.00 0.00 H new ATOM 278 N LEU A 692 14.431 -17.454 -0.209 1.00 0.00 N ATOM 279 CA LEU A 692 15.883 -17.577 -0.167 1.00 0.00 C ATOM 280 C LEU A 692 16.420 -17.124 1.186 1.00 0.00 C ATOM 281 O LEU A 692 17.289 -17.770 1.771 1.00 0.00 O ATOM 282 CB LEU A 692 16.508 -16.731 -1.282 1.00 0.00 C ATOM 283 CG LEU A 692 18.036 -16.838 -1.233 1.00 0.00 C ATOM 284 CD1 LEU A 692 18.465 -18.288 -1.461 1.00 0.00 C ATOM 285 CD2 LEU A 692 18.640 -15.954 -2.328 1.00 0.00 C ATOM 0 H LEU A 692 14.078 -16.808 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 692 16.148 -18.624 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.143 -17.068 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 692 16.205 -15.690 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 692 18.388 -16.509 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 692 19.552 -18.356 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 692 18.036 -18.921 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 692 18.113 -18.622 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 692 19.727 -16.027 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 692 18.282 -16.286 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 692 18.341 -14.918 -2.166 1.00 0.00 H new ATOM 297 N ILE A 693 15.898 -16.002 1.678 1.00 0.00 N ATOM 298 CA ILE A 693 16.332 -15.469 2.965 1.00 0.00 C ATOM 299 C ILE A 693 16.037 -16.460 4.086 1.00 0.00 C ATOM 300 O ILE A 693 16.867 -16.682 4.965 1.00 0.00 O ATOM 301 CB ILE A 693 15.619 -14.146 3.248 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.120 -13.079 2.271 1.00 0.00 C ATOM 303 CG2 ILE A 693 15.915 -13.703 4.682 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.222 -11.843 2.363 1.00 0.00 C ATOM 0 H ILE A 693 15.180 -15.449 1.209 1.00 0.00 H new ATOM 0 HA ILE A 693 17.408 -15.300 2.922 1.00 0.00 H new ATOM 0 HB ILE A 693 14.544 -14.278 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.151 -12.811 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.115 -13.471 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.407 -12.760 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.560 -14.463 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 693 16.990 -13.570 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.578 -11.082 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.198 -12.117 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.250 -11.448 3.378 1.00 0.00 H new ATOM 316 N GLY A 694 14.846 -17.052 4.046 1.00 0.00 N ATOM 317 CA GLY A 694 14.450 -18.019 5.064 1.00 0.00 C ATOM 318 C GLY A 694 15.373 -19.235 5.037 1.00 0.00 C ATOM 319 O GLY A 694 15.861 -19.677 6.077 1.00 0.00 O ATOM 0 H GLY A 694 14.144 -16.881 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.482 -17.553 6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.420 -18.333 4.894 1.00 0.00 H new ATOM 323 N LEU A 695 15.605 -19.771 3.843 1.00 0.00 N ATOM 324 CA LEU A 695 16.470 -20.934 3.695 1.00 0.00 C ATOM 325 C LEU A 695 17.838 -20.663 4.315 1.00 0.00 C ATOM 326 O LEU A 695 18.372 -21.491 5.055 1.00 0.00 O ATOM 327 CB LEU A 695 16.633 -21.275 2.211 1.00 0.00 C ATOM 328 CG LEU A 695 17.576 -22.472 2.043 1.00 0.00 C ATOM 329 CD1 LEU A 695 16.989 -23.698 2.742 1.00 0.00 C ATOM 330 CD2 LEU A 695 17.750 -22.775 0.553 1.00 0.00 C ATOM 0 H LEU A 695 15.209 -19.421 2.970 1.00 0.00 H new ATOM 0 HA LEU A 695 16.012 -21.777 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 695 15.661 -21.504 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.028 -20.413 1.674 1.00 0.00 H new ATOM 0 HG LEU A 695 18.542 -22.233 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 695 17.664 -24.545 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 695 16.863 -23.486 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.021 -23.939 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 695 18.420 -23.626 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 695 16.781 -23.011 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 695 18.173 -21.905 0.052 1.00 0.00 H new ATOM 342 N ARG A 696 18.400 -19.500 4.008 1.00 0.00 N ATOM 343 CA ARG A 696 19.706 -19.128 4.542 1.00 0.00 C ATOM 344 C ARG A 696 19.663 -19.064 6.066 1.00 0.00 C ATOM 345 O ARG A 696 20.552 -19.583 6.742 1.00 0.00 O ATOM 346 CB ARG A 696 20.130 -17.767 3.986 1.00 0.00 C ATOM 347 CG ARG A 696 21.526 -17.414 4.505 1.00 0.00 C ATOM 348 CD ARG A 696 21.938 -16.041 3.969 1.00 0.00 C ATOM 349 NE ARG A 696 22.047 -16.079 2.514 1.00 0.00 N ATOM 350 CZ ARG A 696 23.141 -16.534 1.899 1.00 0.00 C ATOM 351 NH1 ARG A 696 24.162 -16.980 2.588 1.00 0.00 N ATOM 352 NH2 ARG A 696 23.193 -16.536 0.596 1.00 0.00 N ATOM 0 H ARG A 696 17.976 -18.802 3.397 1.00 0.00 H new ATOM 0 HA ARG A 696 20.429 -19.885 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 696 20.132 -17.792 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 696 19.415 -17.001 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 696 21.529 -17.407 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 696 22.245 -18.170 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 696 21.205 -15.292 4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 696 22.892 -15.744 4.405 1.00 0.00 H new ATOM 0 HE ARG A 696 21.264 -15.748 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 696 24.127 -16.983 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 696 24.992 -17.325 2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 696 22.401 -16.191 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 696 24.026 -16.882 0.119 1.00 0.00 H new ATOM 366 N ILE A 697 18.628 -18.425 6.599 1.00 0.00 N ATOM 367 CA ILE A 697 18.482 -18.300 8.045 1.00 0.00 C ATOM 368 C ILE A 697 18.453 -19.676 8.702 1.00 0.00 C ATOM 369 O ILE A 697 19.139 -19.916 9.696 1.00 0.00 O ATOM 370 CB ILE A 697 17.191 -17.546 8.381 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.315 -16.067 7.976 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.917 -17.646 9.885 1.00 0.00 C ATOM 373 CD1 ILE A 697 18.222 -15.313 8.959 1.00 0.00 C ATOM 0 H ILE A 697 17.883 -17.988 6.057 1.00 0.00 H new ATOM 0 HA ILE A 697 19.337 -17.743 8.428 1.00 0.00 H new ATOM 0 HB ILE A 697 16.366 -17.994 7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 697 17.722 -15.993 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 697 16.328 -15.606 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 697 15.999 -17.110 10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.809 -18.694 10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.748 -17.206 10.436 1.00 0.00 H new ATOM 0 HD11 ILE A 697 18.298 -14.269 8.656 1.00 0.00 H new ATOM 0 HD12 ILE A 697 17.799 -15.370 9.962 1.00 0.00 H new ATOM 0 HD13 ILE A 697 19.214 -15.764 8.958 1.00 0.00 H new ATOM 385 N VAL A 698 17.654 -20.577 8.140 1.00 0.00 N ATOM 386 CA VAL A 698 17.543 -21.929 8.681 1.00 0.00 C ATOM 387 C VAL A 698 18.911 -22.599 8.723 1.00 0.00 C ATOM 388 O VAL A 698 19.265 -23.247 9.708 1.00 0.00 O ATOM 389 CB VAL A 698 16.591 -22.758 7.818 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.661 -24.225 8.248 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.162 -22.242 7.999 1.00 0.00 C ATOM 0 H VAL A 698 17.078 -20.399 7.317 1.00 0.00 H new ATOM 0 HA VAL A 698 17.150 -21.866 9.696 1.00 0.00 H new ATOM 0 HB VAL A 698 16.880 -22.672 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 698 15.983 -24.817 7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.679 -24.593 8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.371 -24.311 9.295 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.482 -22.832 7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.873 -22.330 9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.111 -21.196 7.695 1.00 0.00 H new ATOM 401 N PHE A 699 19.674 -22.439 7.648 1.00 0.00 N ATOM 402 CA PHE A 699 21.004 -23.032 7.571 1.00 0.00 C ATOM 403 C PHE A 699 21.911 -22.443 8.646 1.00 0.00 C ATOM 404 O PHE A 699 22.663 -23.165 9.303 1.00 0.00 O ATOM 405 CB PHE A 699 21.609 -22.773 6.190 1.00 0.00 C ATOM 406 CG PHE A 699 22.986 -23.391 6.117 1.00 0.00 C ATOM 407 CD1 PHE A 699 23.125 -24.768 5.903 1.00 0.00 C ATOM 408 CD2 PHE A 699 24.123 -22.587 6.266 1.00 0.00 C ATOM 409 CE1 PHE A 699 24.401 -25.339 5.836 1.00 0.00 C ATOM 410 CE2 PHE A 699 25.398 -23.159 6.201 1.00 0.00 C ATOM 411 CZ PHE A 699 25.538 -24.535 5.985 1.00 0.00 C ATOM 0 H PHE A 699 19.397 -21.907 6.823 1.00 0.00 H new ATOM 0 HA PHE A 699 20.917 -24.106 7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 699 20.968 -23.195 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 699 21.670 -21.701 6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 699 22.248 -25.389 5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 699 24.015 -21.525 6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 699 24.509 -26.401 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 699 26.275 -22.539 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 699 26.522 -24.976 5.933 1.00 0.00 H new ATOM 421 N ALA A 700 21.834 -21.129 8.822 1.00 0.00 N ATOM 422 CA ALA A 700 22.652 -20.452 9.823 1.00 0.00 C ATOM 423 C ALA A 700 22.331 -20.977 11.218 1.00 0.00 C ATOM 424 O ALA A 700 23.231 -21.236 12.016 1.00 0.00 O ATOM 425 CB ALA A 700 22.399 -18.944 9.771 1.00 0.00 C ATOM 0 H ALA A 700 21.219 -20.514 8.289 1.00 0.00 H new ATOM 0 HA ALA A 700 23.701 -20.651 9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.013 -18.446 10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.657 -18.566 8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.347 -18.744 9.973 1.00 0.00 H new ATOM 431 N VAL A 701 21.043 -21.132 11.505 1.00 0.00 N ATOM 432 CA VAL A 701 20.615 -21.627 12.807 1.00 0.00 C ATOM 433 C VAL A 701 21.170 -23.026 13.056 1.00 0.00 C ATOM 434 O VAL A 701 21.669 -23.322 14.141 1.00 0.00 O ATOM 435 CB VAL A 701 19.087 -21.660 12.877 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.650 -22.389 14.148 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.547 -20.229 12.900 1.00 0.00 C ATOM 0 H VAL A 701 20.282 -20.924 10.858 1.00 0.00 H new ATOM 0 HA VAL A 701 20.998 -20.955 13.575 1.00 0.00 H new ATOM 0 HB VAL A 701 18.695 -22.183 12.005 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.561 -22.413 14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.035 -23.409 14.133 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.042 -21.866 15.020 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.458 -20.252 12.950 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.939 -19.706 13.772 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.858 -19.708 11.994 1.00 0.00 H new ATOM 447 N LEU A 702 21.077 -23.880 12.043 1.00 0.00 N ATOM 448 CA LEU A 702 21.573 -25.246 12.159 1.00 0.00 C ATOM 449 C LEU A 702 23.080 -25.254 12.397 1.00 0.00 C ATOM 450 O LEU A 702 23.577 -25.976 13.263 1.00 0.00 O ATOM 451 CB LEU A 702 21.247 -26.026 10.880 1.00 0.00 C ATOM 452 CG LEU A 702 21.790 -27.456 10.983 1.00 0.00 C ATOM 453 CD1 LEU A 702 21.125 -28.184 12.153 1.00 0.00 C ATOM 454 CD2 LEU A 702 21.487 -28.205 9.683 1.00 0.00 C ATOM 0 H LEU A 702 20.665 -23.653 11.138 1.00 0.00 H new ATOM 0 HA LEU A 702 21.085 -25.721 13.010 1.00 0.00 H new ATOM 0 HB2 LEU A 702 20.169 -26.048 10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.684 -25.524 10.017 1.00 0.00 H new ATOM 0 HG LEU A 702 22.867 -27.421 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 702 21.516 -29.199 12.219 1.00 0.00 H new ATOM 0 HD12 LEU A 702 21.337 -27.652 13.080 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.047 -28.220 11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 702 21.871 -29.223 9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 702 20.409 -28.234 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 702 21.964 -27.692 8.848 1.00 0.00 H new ATOM 466 N SER A 703 23.800 -24.446 11.629 1.00 0.00 N ATOM 467 CA SER A 703 25.251 -24.368 11.767 1.00 0.00 C ATOM 468 C SER A 703 25.630 -23.921 13.174 1.00 0.00 C ATOM 469 O SER A 703 26.563 -24.454 13.775 1.00 0.00 O ATOM 470 CB SER A 703 25.834 -23.397 10.740 1.00 0.00 C ATOM 471 OG SER A 703 25.326 -22.092 10.976 1.00 0.00 O ATOM 0 H SER A 703 23.408 -23.839 10.909 1.00 0.00 H new ATOM 0 HA SER A 703 25.664 -25.361 11.589 1.00 0.00 H new ATOM 0 HB2 SER A 703 26.922 -23.392 10.806 1.00 0.00 H new ATOM 0 HB3 SER A 703 25.577 -23.721 9.731 1.00 0.00 H new ATOM 0 HG SER A 703 24.432 -22.156 11.371 1.00 0.00 H new ATOM 477 N LEU A 704 24.901 -22.940 13.693 1.00 0.00 N ATOM 478 CA LEU A 704 25.168 -22.426 15.033 1.00 0.00 C ATOM 479 C LEU A 704 24.930 -23.506 16.082 1.00 0.00 C ATOM 480 O LEU A 704 25.713 -23.658 17.019 1.00 0.00 O ATOM 481 CB LEU A 704 24.268 -21.221 15.322 1.00 0.00 C ATOM 482 CG LEU A 704 24.707 -20.028 14.468 1.00 0.00 C ATOM 483 CD1 LEU A 704 23.656 -18.921 14.568 1.00 0.00 C ATOM 484 CD2 LEU A 704 26.052 -19.496 14.976 1.00 0.00 C ATOM 0 H LEU A 704 24.125 -22.486 13.211 1.00 0.00 H new ATOM 0 HA LEU A 704 26.212 -22.117 15.079 1.00 0.00 H new ATOM 0 HB2 LEU A 704 23.229 -21.471 15.106 1.00 0.00 H new ATOM 0 HB3 LEU A 704 24.320 -20.962 16.379 1.00 0.00 H new ATOM 0 HG LEU A 704 24.812 -20.345 13.430 1.00 0.00 H new ATOM 0 HD11 LEU A 704 23.965 -18.070 13.961 1.00 0.00 H new ATOM 0 HD12 LEU A 704 22.698 -19.295 14.207 1.00 0.00 H new ATOM 0 HD13 LEU A 704 23.555 -18.608 15.607 1.00 0.00 H new ATOM 0 HD21 LEU A 704 26.361 -18.647 14.366 1.00 0.00 H new ATOM 0 HD22 LEU A 704 25.949 -19.179 16.014 1.00 0.00 H new ATOM 0 HD23 LEU A 704 26.803 -20.283 14.910 1.00 0.00 H new ATOM 496 N VAL A 705 23.845 -24.255 15.920 1.00 0.00 N ATOM 497 CA VAL A 705 23.516 -25.320 16.862 1.00 0.00 C ATOM 498 C VAL A 705 24.607 -26.388 16.866 1.00 0.00 C ATOM 499 O VAL A 705 25.019 -26.864 17.923 1.00 0.00 O ATOM 500 CB VAL A 705 22.179 -25.956 16.484 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.952 -27.211 17.331 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.049 -24.957 16.744 1.00 0.00 C ATOM 0 H VAL A 705 23.183 -24.147 15.152 1.00 0.00 H new ATOM 0 HA VAL A 705 23.443 -24.887 17.860 1.00 0.00 H new ATOM 0 HB VAL A 705 22.192 -26.227 15.428 1.00 0.00 H new ATOM 0 HG11 VAL A 705 20.998 -27.664 17.061 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.757 -27.923 17.149 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.939 -26.940 18.387 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.094 -25.409 16.475 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.038 -24.687 17.800 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.209 -24.062 16.143 1.00 0.00 H new ATOM 512 N ASN A 706 25.069 -26.759 15.676 1.00 0.00 N ATOM 513 CA ASN A 706 26.114 -27.769 15.556 1.00 0.00 C ATOM 514 C ASN A 706 27.369 -27.331 16.304 1.00 0.00 C ATOM 515 O ASN A 706 27.999 -28.129 16.997 1.00 0.00 O ATOM 516 CB ASN A 706 26.449 -28.000 14.082 1.00 0.00 C ATOM 517 CG ASN A 706 25.304 -28.736 13.394 1.00 0.00 C ATOM 518 OD1 ASN A 706 24.487 -29.372 14.060 1.00 0.00 O ATOM 519 ND2 ASN A 706 25.195 -28.685 12.095 1.00 0.00 N ATOM 0 H ASN A 706 24.740 -26.379 14.788 1.00 0.00 H new ATOM 0 HA ASN A 706 25.749 -28.698 15.995 1.00 0.00 H new ATOM 0 HB2 ASN A 706 26.627 -27.045 13.587 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.368 -28.580 13.996 1.00 0.00 H new ATOM 0 HD21 ASN A 706 24.431 -29.173 11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 706 25.874 -28.157 11.547 1.00 0.00 H new ATOM 526 N ARG A 707 27.726 -26.060 16.155 1.00 0.00 N ATOM 527 CA ARG A 707 28.911 -25.527 16.820 1.00 0.00 C ATOM 528 C ARG A 707 28.754 -25.605 18.336 1.00 0.00 C ATOM 529 O ARG A 707 29.677 -26.012 19.042 1.00 0.00 O ATOM 530 CB ARG A 707 29.132 -24.073 16.399 1.00 0.00 C ATOM 531 CG ARG A 707 30.394 -23.531 17.076 1.00 0.00 C ATOM 532 CD ARG A 707 30.643 -22.095 16.612 1.00 0.00 C ATOM 533 NE ARG A 707 31.848 -21.560 17.243 1.00 0.00 N ATOM 534 CZ ARG A 707 31.829 -21.050 18.476 1.00 0.00 C ATOM 535 NH1 ARG A 707 30.724 -21.019 19.176 1.00 0.00 N ATOM 536 NH2 ARG A 707 32.931 -20.576 18.992 1.00 0.00 N ATOM 0 H ARG A 707 27.217 -25.384 15.585 1.00 0.00 H new ATOM 0 HA ARG A 707 29.773 -26.125 16.526 1.00 0.00 H new ATOM 0 HB2 ARG A 707 29.231 -24.008 15.315 1.00 0.00 H new ATOM 0 HB3 ARG A 707 28.269 -23.468 16.677 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.280 -23.560 18.160 1.00 0.00 H new ATOM 0 HG3 ARG A 707 31.250 -24.158 16.829 1.00 0.00 H new ATOM 0 HD2 ARG A 707 30.750 -22.069 15.528 1.00 0.00 H new ATOM 0 HD3 ARG A 707 29.785 -21.471 16.862 1.00 0.00 H new ATOM 0 HE ARG A 707 32.728 -21.577 16.727 1.00 0.00 H new ATOM 0 HH11 ARG A 707 29.859 -21.388 18.781 1.00 0.00 H new ATOM 0 HH12 ARG A 707 30.727 -20.626 20.117 1.00 0.00 H new ATOM 0 HH21 ARG A 707 33.797 -20.597 18.453 1.00 0.00 H new ATOM 0 HH22 ARG A 707 32.926 -20.184 19.934 1.00 0.00 H new ATOM 550 N VAL A 708 27.585 -25.211 18.828 1.00 0.00 N ATOM 551 CA VAL A 708 27.322 -25.240 20.262 1.00 0.00 C ATOM 552 C VAL A 708 27.422 -26.666 20.796 1.00 0.00 C ATOM 553 O VAL A 708 28.006 -26.905 21.853 1.00 0.00 O ATOM 554 CB VAL A 708 25.927 -24.682 20.551 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.571 -24.925 22.018 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.914 -23.178 20.267 1.00 0.00 C ATOM 0 H VAL A 708 26.809 -24.870 18.260 1.00 0.00 H new ATOM 0 HA VAL A 708 28.069 -24.623 20.761 1.00 0.00 H new ATOM 0 HB VAL A 708 25.197 -25.182 19.914 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.577 -24.527 22.222 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.582 -25.996 22.223 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.300 -24.426 22.657 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.921 -22.778 20.472 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.645 -22.681 20.905 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.167 -23.003 19.221 1.00 0.00 H new ATOM 566 N ARG A 709 26.847 -27.610 20.056 1.00 0.00 N ATOM 567 CA ARG A 709 26.877 -29.010 20.463 1.00 0.00 C ATOM 568 C ARG A 709 28.286 -29.579 20.324 1.00 0.00 C ATOM 569 O ARG A 709 28.689 -30.457 21.087 1.00 0.00 O ATOM 570 CB ARG A 709 25.903 -29.819 19.599 1.00 0.00 C ATOM 571 CG ARG A 709 25.939 -31.300 19.997 1.00 0.00 C ATOM 572 CD ARG A 709 25.478 -31.468 21.447 1.00 0.00 C ATOM 573 NE ARG A 709 25.374 -32.885 21.781 1.00 0.00 N ATOM 574 CZ ARG A 709 25.121 -33.300 23.024 1.00 0.00 C ATOM 575 NH1 ARG A 709 24.955 -32.437 23.996 1.00 0.00 N ATOM 576 NH2 ARG A 709 25.038 -34.577 23.272 1.00 0.00 N ATOM 0 H ARG A 709 26.359 -27.432 19.178 1.00 0.00 H new ATOM 0 HA ARG A 709 26.577 -29.077 21.509 1.00 0.00 H new ATOM 0 HB2 ARG A 709 24.892 -29.429 19.717 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.165 -29.712 18.546 1.00 0.00 H new ATOM 0 HG2 ARG A 709 25.296 -31.878 19.334 1.00 0.00 H new ATOM 0 HG3 ARG A 709 26.950 -31.691 19.881 1.00 0.00 H new ATOM 0 HD2 ARG A 709 26.183 -30.979 22.119 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.513 -30.982 21.588 1.00 0.00 H new ATOM 0 HE ARG A 709 25.498 -33.578 21.043 1.00 0.00 H new ATOM 0 HH11 ARG A 709 25.019 -31.437 23.806 1.00 0.00 H new ATOM 0 HH12 ARG A 709 24.762 -32.765 24.942 1.00 0.00 H new ATOM 0 HH21 ARG A 709 25.166 -35.252 22.518 1.00 0.00 H new ATOM 0 HH22 ARG A 709 24.845 -34.901 24.220 1.00 0.00 H new ATOM 590 N GLN A 710 29.029 -29.071 19.347 1.00 0.00 N ATOM 591 CA GLN A 710 30.391 -29.537 19.118 1.00 0.00 C ATOM 592 C GLN A 710 31.216 -29.416 20.394 1.00 0.00 C ATOM 593 O GLN A 710 31.184 -28.390 21.072 1.00 0.00 O ATOM 594 CB GLN A 710 31.068 -28.774 17.975 1.00 0.00 C ATOM 595 CG GLN A 710 30.677 -29.403 16.635 1.00 0.00 C ATOM 596 CD GLN A 710 31.051 -28.470 15.489 1.00 0.00 C ATOM 597 OE1 GLN A 710 31.526 -27.359 15.721 1.00 0.00 O ATOM 598 NE2 GLN A 710 30.860 -28.855 14.258 1.00 0.00 N ATOM 0 H GLN A 710 28.714 -28.343 18.706 1.00 0.00 H new ATOM 0 HA GLN A 710 30.334 -30.586 18.828 1.00 0.00 H new ATOM 0 HB2 GLN A 710 30.770 -27.726 17.997 1.00 0.00 H new ATOM 0 HB3 GLN A 710 32.151 -28.800 18.098 1.00 0.00 H new ATOM 0 HG2 GLN A 710 31.182 -30.361 16.513 1.00 0.00 H new ATOM 0 HG3 GLN A 710 29.606 -29.602 16.617 1.00 0.00 H new ATOM 0 HE21 GLN A 710 30.466 -29.776 14.067 1.00 0.00 H new ATOM 0 HE22 GLN A 710 31.104 -28.235 13.486 1.00 0.00 H new ATOM 607 N GLY A 711 31.959 -30.471 20.713 1.00 0.00 N ATOM 608 CA GLY A 711 32.795 -30.478 21.908 1.00 0.00 C ATOM 609 C GLY A 711 31.961 -30.219 23.158 1.00 0.00 C ATOM 610 O GLY A 711 30.908 -30.827 23.352 1.00 0.00 O ATOM 0 H GLY A 711 31.999 -31.329 20.163 1.00 0.00 H new ATOM 0 HA2 GLY A 711 33.301 -31.439 21.997 1.00 0.00 H new ATOM 0 HA3 GLY A 711 33.570 -29.717 21.819 1.00 0.00 H new ATOM 614 N TYR A 712 32.436 -29.307 24.000 1.00 0.00 N ATOM 615 CA TYR A 712 31.726 -28.967 25.229 1.00 0.00 C ATOM 616 C TYR A 712 31.975 -27.506 25.593 1.00 0.00 C ATOM 617 O TYR A 712 32.947 -26.904 25.136 1.00 0.00 O ATOM 618 CB TYR A 712 32.188 -29.881 26.366 1.00 0.00 C ATOM 619 CG TYR A 712 33.649 -29.633 26.660 1.00 0.00 C ATOM 620 CD1 TYR A 712 34.633 -30.325 25.940 1.00 0.00 C ATOM 621 CD2 TYR A 712 34.020 -28.721 27.654 1.00 0.00 C ATOM 622 CE1 TYR A 712 35.987 -30.102 26.216 1.00 0.00 C ATOM 623 CE2 TYR A 712 35.375 -28.498 27.929 1.00 0.00 C ATOM 624 CZ TYR A 712 36.359 -29.188 27.210 1.00 0.00 C ATOM 625 OH TYR A 712 37.693 -28.969 27.483 1.00 0.00 O ATOM 0 H TYR A 712 33.305 -28.792 23.856 1.00 0.00 H new ATOM 0 HA TYR A 712 30.657 -29.110 25.072 1.00 0.00 H new ATOM 0 HB2 TYR A 712 31.591 -29.696 27.259 1.00 0.00 H new ATOM 0 HB3 TYR A 712 32.035 -30.925 26.091 1.00 0.00 H new ATOM 0 HD1 TYR A 712 34.347 -31.029 25.173 1.00 0.00 H new ATOM 0 HD2 TYR A 712 33.262 -28.189 28.209 1.00 0.00 H new ATOM 0 HE1 TYR A 712 36.746 -30.635 25.662 1.00 0.00 H new ATOM 0 HE2 TYR A 712 35.661 -27.794 28.696 1.00 0.00 H new ATOM 0 HH TYR A 712 37.776 -28.305 28.199 1.00 0.00 H new ATOM 635 N SER A 713 31.089 -26.935 26.402 1.00 0.00 N ATOM 636 CA SER A 713 31.228 -25.539 26.799 1.00 0.00 C ATOM 637 C SER A 713 32.286 -25.383 27.901 1.00 0.00 C ATOM 638 O SER A 713 32.444 -26.274 28.734 1.00 0.00 O ATOM 639 CB SER A 713 29.888 -25.009 27.307 1.00 0.00 C ATOM 640 OG SER A 713 28.946 -25.015 26.243 1.00 0.00 O ATOM 0 H SER A 713 30.276 -27.411 26.792 1.00 0.00 H new ATOM 0 HA SER A 713 31.546 -24.968 25.927 1.00 0.00 H new ATOM 0 HB2 SER A 713 29.528 -25.627 28.130 1.00 0.00 H new ATOM 0 HB3 SER A 713 30.008 -23.998 27.696 1.00 0.00 H new ATOM 0 HG SER A 713 28.085 -24.677 26.567 1.00 0.00 H new ATOM 646 N PRO A 714 33.003 -24.275 27.941 1.00 0.00 N ATOM 647 CA PRO A 714 34.043 -24.033 28.994 1.00 0.00 C ATOM 648 C PRO A 714 33.462 -24.108 30.403 1.00 0.00 C ATOM 649 O PRO A 714 34.113 -24.584 31.334 1.00 0.00 O ATOM 650 CB PRO A 714 34.536 -22.613 28.697 1.00 0.00 C ATOM 651 CG PRO A 714 34.232 -22.399 27.257 1.00 0.00 C ATOM 652 CD PRO A 714 32.921 -23.134 27.007 1.00 0.00 C ATOM 0 HA PRO A 714 34.832 -24.784 28.965 1.00 0.00 H new ATOM 0 HB2 PRO A 714 34.028 -21.879 29.322 1.00 0.00 H new ATOM 0 HB3 PRO A 714 35.603 -22.515 28.895 1.00 0.00 H new ATOM 0 HG2 PRO A 714 34.137 -21.337 27.029 1.00 0.00 H new ATOM 0 HG3 PRO A 714 35.029 -22.791 26.625 1.00 0.00 H new ATOM 0 HD2 PRO A 714 32.057 -22.502 27.215 1.00 0.00 H new ATOM 0 HD3 PRO A 714 32.833 -23.464 25.972 1.00 0.00 H new ATOM 660 N LEU A 715 32.235 -23.619 30.551 1.00 0.00 N ATOM 661 CA LEU A 715 31.567 -23.615 31.848 1.00 0.00 C ATOM 662 C LEU A 715 31.403 -25.037 32.377 1.00 0.00 C ATOM 663 O LEU A 715 31.642 -25.300 33.555 1.00 0.00 O ATOM 664 CB LEU A 715 30.194 -22.949 31.722 1.00 0.00 C ATOM 665 CG LEU A 715 29.508 -22.919 33.088 1.00 0.00 C ATOM 666 CD1 LEU A 715 28.814 -21.570 33.278 1.00 0.00 C ATOM 667 CD2 LEU A 715 28.464 -24.037 33.158 1.00 0.00 C ATOM 0 H LEU A 715 31.684 -23.221 29.791 1.00 0.00 H new ATOM 0 HA LEU A 715 32.182 -23.053 32.551 1.00 0.00 H new ATOM 0 HB2 LEU A 715 30.305 -21.935 31.338 1.00 0.00 H new ATOM 0 HB3 LEU A 715 29.578 -23.495 31.007 1.00 0.00 H new ATOM 0 HG LEU A 715 30.252 -23.063 33.872 1.00 0.00 H new ATOM 0 HD11 LEU A 715 28.324 -21.547 34.251 1.00 0.00 H new ATOM 0 HD12 LEU A 715 29.552 -20.770 33.224 1.00 0.00 H new ATOM 0 HD13 LEU A 715 28.070 -21.430 32.494 1.00 0.00 H new ATOM 0 HD21 LEU A 715 27.974 -24.017 34.131 1.00 0.00 H new ATOM 0 HD22 LEU A 715 27.721 -23.890 32.374 1.00 0.00 H new ATOM 0 HD23 LEU A 715 28.953 -25.001 33.018 1.00 0.00 H new ATOM 679 N SER A 716 30.991 -25.947 31.501 1.00 0.00 N ATOM 680 CA SER A 716 30.799 -27.337 31.896 1.00 0.00 C ATOM 681 C SER A 716 31.641 -28.262 31.025 1.00 0.00 C ATOM 682 O SER A 716 32.683 -28.693 31.488 1.00 0.00 O ATOM 683 CB SER A 716 29.322 -27.714 31.771 1.00 0.00 C ATOM 684 OG SER A 716 28.718 -26.922 30.756 1.00 0.00 O ATOM 685 OXT SER A 716 31.230 -28.528 29.906 1.00 0.00 O ATOM 0 H SER A 716 30.785 -25.750 30.522 1.00 0.00 H new ATOM 0 HA SER A 716 31.115 -27.449 32.933 1.00 0.00 H new ATOM 0 HB2 SER A 716 29.224 -28.772 31.529 1.00 0.00 H new ATOM 0 HB3 SER A 716 28.813 -27.557 32.722 1.00 0.00 H new ATOM 0 HG SER A 716 27.772 -27.163 30.673 1.00 0.00 H new TER 691 SER A 716